| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:26 UTC |
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| Update Date | 2025-03-25 00:49:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H35FN2O5 |
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| Molecular Mass | 558.253 |
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| SMILES | Cc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)n(CCC(O)CC(O)C(=O)O)c2C(C)C)cc1 |
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| InChI Key | NXLDNSWVGNHGKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acidsfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolestoluenesvinylogous amides |
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| Substituents | aryl fluoridefatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidalpha-hydroxy acidfatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidaromatic anilidefluorobenzeneorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundhydroxy acidcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenetolueneorganooxygen compound |
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